In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 36 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.71 | 14.35 | -46.81 | 2 | 6 | 1 | 53 | 498.573 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.71 | 14.72 | -101.73 | 3 | 6 | 2 | 54 | 499.581 | 7 | ↓ |